(piperidin-3-yl)methanamine

• ChemBase ID: 796932
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C(N)C1CCCNC1
• Canonical SMILES: NCC1CCCNC1
• InChI: InChI=1S/C6H14N2/c7-4-6-2-1-3-8-5-6/h6,8H,1-5,7H2
• InChIKey: IPOVLZSJBYKHHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (piperidin-3-yl)methanamine
• IUPAC Traditional name: piperidin-3-ylmethanamine
• Synonyms: Piperidin-3-ylMethanaMine

Database IDs

• CAS Number: 23099-21-0

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -6.300086
• LogD (pH = 7.4): -4.366531
• Log P: -0.4795432
• Molar Refractivity: 34.7944 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%